2G09

X-ray structure of mouse pyrimidine 5'-nucleotidase type 1, product complex

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 8-BM
Synchrotron site	APS
Beamline	8-BM
Temperature [K]	100
Detector technology	CCD
Collection date	2005-11-30
Detector	ADSC QUANTUM 315
Spacegroup name	P 32
Unit cell lengths	134.006, 134.006, 39.087
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	32.190 - 2.100
R-factor	0.153
Rwork	0.150
R-free	0.19800
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2bdu
RMSD bond length	0.015
RMSD bond angle	1.316
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	MOLREP
Refinement software	REFMAC (5.2.0005)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.150
High resolution limit [Å]	2.100	2.100
Rmerge	0.071	0.342
Number of reflections	45396
<I/σ(I)>	13.11	3.42
Completeness [%]	98.9	97.6
Redundancy	3.8	3.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6	277	PROTEIN SOLUTION (10 MG/ML PROTEIN, 0.005 M BIS TRIS, 0.050 M SODIUM CHLORIDE, 0.003 M SODIUM AZIDE, 0.0003 M TCEP, PH 6.0) MIXED IN A 1:1 RATIO WITH THE WELL SOLUTION (20-25% PEG 8K, 0.10 M PIPES PH 6.5) CRYSTALS SOAKED FOR 60 MINUTES IN WELL SOLUTION WITH 0.005 M magnesium chloride, 0.005 M UMP, temperature 277K, VAPOR DIFFUSION, HANGING DROP, pH 6.00